Excitons in potassium bromide: A study using embedded time-dependent density functional theory and equation-of-motion coupled cluster methods

Chemical Physics Letters

Volumn 470, Issue 4-6, 2009, Pages 353-357

  Govind, N ^a   Sushko, P V ^b,c   Hess, W P ^d   Valiev, M ^a   Kowalski, K ^a  

^a PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

^b TOHOKU UNIVERSITY   (Japan)

^c UNIVERSITY COLLEGE LONDON   (United Kingdom)

^d PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTIONAL THEORY; EQUATIONS OF MOTION; EXCITONS; MOLECULAR ELECTRONICS; POTASSIUM;

COUPLED CLUSTERS; COUPLED-CLUSTER METHODS; EMBEDDED CLUSTER METHODS; EMBEDDED CLUSTERS; ITERATIVE FASHIONS; NON-ITERATIVE; POTASSIUM BROMIDES; SURFACE EXCITONS; TIME-DEPENDENT DENSITY FUNCTIONAL THEORIES;

TIME AND MOTION STUDY;

EID: 60949087200     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.01.073     Document Type: Article

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